N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide

C19H22FN3O2 — CID 38157936

IUPACN-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)18(24)23-16-9-7-14(8-10-16)11-21-19(25)22-12-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyNJRGJCCRPPPZNK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide

N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide (PubChem CID 38157936) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
PubChem CID38157936
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(2)18(24)23-16-9-7-14(8-10-16)11-21-19(25)22-12-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyNJRGJCCRPPPZNK-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide
CID 38154617
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
CID 108897590
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide (CID 38157936) is N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CNC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is NJRGJCCRPPPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)18(24)23-16-9-7-14(8-10-16)11-21-19(25)22-12-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 38157936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).